2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C22H27ClFN3O MolecularWeight: 403.920683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2CCN(CC2)CC3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2CCN(CC2)CC3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C22H27ClFN3O/c1-3-17-7-4-6-16(2)22(17)25-21(28)15-27-12-10-26(11-13-27)14-18-19(23)8-5-9-20(18)24/h4-9H,3,10-15H2,1-2H3,(H,25,28)